4
Lattice="3.5347950185512054 3.556833962969272e-17 0.0 -1.7673975092756011 3.06122228323603 0.0 6.437222689789803e-18 -4.5410394865660125e-34 36.080178599999996" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3 energy=-22.130420377855707 stress="8.440660417620851e-05 -6.221678422403653e-19 1.5554196056009133e-19 -6.221678422403653e-19 8.4406604176211e-05 1.2961830046674277e-20 1.5554196056009133e-19 1.2961830046674277e-20 -1.0430089820380907e-05" dipole="0.6674362679374718 -0.38534450896061073 -1.5761901222405491e-13" pbc="T T F"
Zr       0.00000000       0.00000000      19.20957967       0.00000000      -0.00000000      -0.00000000       0.00793687
Zr       0.00000000       2.04081486      16.87059893       0.00000000       0.00000000       0.00000000      -0.00793687
Br       1.76739751       1.02040743      14.98033466       0.00000000      -0.00000000       0.00000000       0.00212577
Br       1.76739751       1.02040743      21.09984394       0.00000000       0.00000000       0.00000000      -0.00212577